General Information of the Compound
| Compound ID |
CP0503098
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| Compound Name |
3-ethenyl-N-[[4-(1-oxidopyridin-1-ium-2-yl)piperidin-1-yl]methyl]benzamide
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| Structure |
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| Formula |
C20H23N3O2
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| Molecular Weight |
337.423
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| Canonical SMILES |
[O-][n+]1ccccc1C1CCN(CNC(=O)c2cccc(C=C)c2)CC1
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| InChI |
InChI=1S/C20H23N3O2/c1-2-16-6-5-7-18(14-16)20(24)21-15-22-12-9-17(10-13-22)19-8-3-4-11-23(19)25/h2-8,11,14,17H,1,9-10,12-13,15H2,(H,21,24)
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| InChIKey |
FFGUCIAXMYUXMW-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound